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Isopropyl benzenesulfonate

Isopropyl benzenesulfonate structure

Isopropyl benzenesulfonate 

structure
  • CAS No:

    6214-18-2

  • Formula:

    C9H12O3S

  • Chemical Name:

    Isopropyl benzenesulfonate

  • Synonyms:

    Benzenesulfonic acid,1-methylethyl ester;Benzenesulfonic acid,isopropyl ester;Isopropyl benzenesulfonate;1-Methylethyl benzenesulfonate

  • Categories:

    Organic Chemistry  >  Inorganic Acid Esters

Description

Colorless Oil

Isopropyl benzenesulfonate Basic Attributes

200.252

200.25

FF97SL9332

2905199090

Characteristics

51.8

2

Colorless to pale yellow Liquid

1.145 g/cm3 @ Temp: 20 °C

155 °C @ Press: 7 Torr

139.637°C

soluble in chloroform and ethyl acetate.

Refrigerator

Safety Information

DB7151080

Isopropyl benzenesulfonate Use and Manufacturing

A sulfonate ester as potential genotoxic impurity in drug substances.

Computed Properties

Molecular Weight:200.26
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:200.05071541
Monoisotopic Mass:200.05071541
Topological Polar Surface Area:51.8
Heavy Atom Count:13
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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